tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane

C16H36OSi — CID 134966102

IUPACtert-butyl-(2,2-dimethyloctoxy)-dimethylsilane
SMILESCCCCCCC(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36OSi/c1-9-10-11-12-13-16(5,6)14-17-18(7,8)15(2,3)4/h9-14H2,1-8H3
InChIKeyRIJWTKLOCXRURZ-UHFFFAOYSA-N
MW272.55 g/mol
LogP6.00
Rot. Bonds8

About tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane

tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane (PubChem CID 134966102) has the molecular formula C16H36OSi and a molecular weight of 272.55 g/mol. Its IUPAC name is tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2,2-dimethyloctoxy)-dimethylsilane
PubChem CID134966102
Molecular FormulaC16H36OSi
Molecular Weight272.55 g/mol
Exact Mass272.25
IUPAC Nametert-butyl-(2,2-dimethyloctoxy)-dimethylsilane
SMILESCCCCCCC(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36OSi/c1-9-10-11-12-13-16(5,6)14-17-18(7,8)15(2,3)4/h9-14H2,1-8H3
InChIKeyRIJWTKLOCXRURZ-UHFFFAOYSA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.55
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
Hexadecyl tert-butyldimethylsilyl ether
CID 529157
1-Dodecanol, DMTBS
CID 529148
Tert-butyl-heptadecoxy-dimethylsilane
CID 6429824
Tert-butyl-dimethyl-nonadecoxysilane
CID 6430216
1-Tridecanol, tBDMS
CID 6430224
1-Undecanol, tBDMS
CID 6430225
tert-Butyl-dimethyl-pentadecoxysilane
CID 91147733
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane (CID 134966102) is tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane is CCCCCCC(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane?
The InChIKey is RIJWTKLOCXRURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36OSi/c1-9-10-11-12-13-16(5,6)14-17-18(7,8)15(2,3)4/h9-14H2,1-8H3.
What are the key properties of tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane?
tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane has a molecular weight of 272.55 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,2-dimethyloctoxy)-dimethylsilane is sourced from PubChem (CID 134966102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).